N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide

C18H20ClFN4O — CID 138996050

IUPACN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCN(c3ccc(Cl)c(F)c3)C2)c1C1CC1
InChIInChI=1S/C18H20ClFN4O/c1-23-17(11-2-3-11)14(9-21-23)18(25)22-12-6-7-24(10-12)13-4-5-15(19)16(20)8-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,22,25)
InChIKeyAJAFVPBKWACWAU-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide

N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide (PubChem CID 138996050) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
PubChem CID138996050
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCN(c3ccc(Cl)c(F)c3)C2)c1C1CC1
InChIInChI=1S/C18H20ClFN4O/c1-23-17(11-2-3-11)14(9-21-23)18(25)22-12-6-7-24(10-12)13-4-5-15(19)16(20)8-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,22,25)
InChIKeyAJAFVPBKWACWAU-UHFFFAOYSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
4-N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138996052
5-cyclopropyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
CID 127787077
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 75470219
2-[[[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110049336
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 133438936
4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide
CID 146585967
1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 146201949
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
2-[[[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049345
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide (CID 138996050) is N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCN(c3ccc(Cl)c(F)c3)C2)c1C1CC1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide?
The InChIKey is AJAFVPBKWACWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c1-23-17(11-2-3-11)14(9-21-23)18(25)22-12-6-7-24(10-12)13-4-5-15(19)16(20)8-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138996050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).